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	hartrees
Energy at 0K	-95.732330
Energy at 298.15K
HF Energy	-95.732330
Nuclear repulsion energy	42.060190

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3523	3357	1.03	103.44	0.12	0.21
2	A'	3107	2961	39.43	87.69	0.28	0.44
3	A'	2997	2857	96.66	126.48	0.17	0.30
4	A'	1711	1631	24.92	10.51	0.68	0.81
5	A'	1528	1457	8.62	23.87	0.70	0.82
6	A'	1484	1415	2.24	8.87	0.65	0.79
7	A'	1196	1140	7.38	4.79	0.49	0.66
8	A'	1104	1052	9.95	8.06	0.33	0.49
9	A'	878	837	178.69	5.42	0.62	0.76
10	A"	3612	3443	0.00	63.48	0.75	0.86
11	A"	3151	3003	31.40	70.96	0.75	0.86
12	A"	1547	1475	2.72	22.90	0.75	0.86
13	A"	1374	1310	0.21	3.79	0.75	0.86
14	A"	990	944	0.05	0.54	0.75	0.86
15	A"	336	320	47.73	2.16	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.051	0.699	0.000
N2	0.051	-0.756	0.000
H3	-0.942	1.181	0.000
H4	0.594	1.059	0.880
H5	0.594	1.059	-0.880
H6	-0.455	-1.100	-0.811
H7	-0.455	-1.100	0.811

	C1	N2	H3	H4	H5	H6	H7
C1		1.4549	1.1042	1.0952	1.0952	2.0370	2.0370
N2	1.4549		2.1771	2.0890	2.0890	1.0159	1.0159
H3	1.1042	2.1771		1.7750	1.7750	2.4698	2.4698
H4	1.0952	2.0890	1.7750		1.7604	2.9363	2.4012
H5	1.0952	2.0890	1.7750	1.7604		2.4012	2.9363
H6	2.0370	1.0159	2.4698	2.9363	2.4012		1.6225
H7	2.0370	1.0159	2.4698	2.4012	2.9363	1.6225

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H6	109.789	C1	N2	H7	109.789
N2	C1	H3	115.907	N2	C1	H4	109.195
N2	C1	H5	109.195	H3	C1	H4	107.611
H3	C1	H5	107.611	H4	C1	H5	106.957
H6	N2	H7	105.982

All results from a given calculation for CH₃NH₂ (methyl amine)

using model chemistry: PBE1PBE/6-31G**

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	C	-0.386
2	N	-0.748
3	H	0.145
4	H	0.179
5	H	0.179
6	H	0.316
7	H	0.316

	x	y	z	Total
	-1.454	0.337	0.000	1.493
CHELPG
AIM
ESP

	x	y	z
x	2.473	0.139	0.000
y	0.139	3.079	0.000
z	0.000	0.000	2.855

<r²>	26.446
(<r²>)^1/2	5.143

All results from a given calculation for CH3NH2 (methyl amine)

using model chemistry: PBE1PBE/6-31G**

States and conformations

All results from a given calculation for CH₃NH₂ (methyl amine)